1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride

C10H16ClN3O4S — CID 82912926

IUPAC1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride
SMILESCOCC(C)NC(=O)Cn1cc(S(=O)(=O)Cl)nc1C
InChIInChI=1S/C10H16ClN3O4S/c1-7(6-18-3)12-9(15)4-14-5-10(13-8(14)2)19(11,16)17/h5,7H,4,6H2,1-3H3,(H,12,15)
InChIKeyLFRSAUZQYLXBDO-UHFFFAOYSA-N
MW309.78 g/mol
LogP0.27
Rot. Bonds6

About 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride

1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride (PubChem CID 82912926) has the molecular formula C10H16ClN3O4S and a molecular weight of 309.78 g/mol. Its IUPAC name is 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride
PubChem CID82912926
Molecular FormulaC10H16ClN3O4S
Molecular Weight309.78 g/mol
Exact Mass309.06
IUPAC Name1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride
SMILESCOCC(C)NC(=O)Cn1cc(S(=O)(=O)Cl)nc1C
InChIInChI=1S/C10H16ClN3O4S/c1-7(6-18-3)12-9(15)4-14-5-10(13-8(14)2)19(11,16)17/h5,7H,4,6H2,1-3H3,(H,12,15)
InChIKeyLFRSAUZQYLXBDO-UHFFFAOYSA-N
XLogP0.27
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(ethylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride
CID 82911637
1-[2-(butan-2-ylamino)-2-oxoethyl]-2-propylimidazole-4-sulfonyl chloride
CID 82912093
1-[2-oxo-2-(pentan-3-ylamino)ethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride
CID 82914013
2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-(1-methoxypropan-2-yl)acetamide
CID 46799043
N-(1-methoxypropan-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 51174931
1-[2-(carbamoylamino)-2-oxoethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride
CID 82913411
2-methyl-1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4-sulfonyl chloride
CID 82913158
N-[(2R)-1-methoxypropan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7277697
N-[(2R)-1-methoxypropan-2-yl]-2-(4-nitropyrazol-1-yl)acetamide
CID 35562414
2-methyl-1-[(6-methyl-2-pyridinyl)methyl]imidazole-4-sulfonyl chloride
CID 82911839
N-(1-methoxypropan-2-yl)-2-[(5-methylpyrazin-2-yl)methylamino]acetamide
CID 62846636
methyl 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]triazole-4-carboxylate
CID 113247997

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride?
The IUPAC name of 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride (CID 82912926) is 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride?
The canonical SMILES for 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride is COCC(C)NC(=O)Cn1cc(S(=O)(=O)Cl)nc1C.
What is the InChIKey of 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride?
The InChIKey is LFRSAUZQYLXBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O4S/c1-7(6-18-3)12-9(15)4-14-5-10(13-8(14)2)19(11,16)17/h5,7H,4,6H2,1-3H3,(H,12,15).
What are the key properties of 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride?
1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride has a molecular weight of 309.78 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride is sourced from PubChem (CID 82912926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).